SCHEMBL13386133

SCHEMBL13386133

CC(C)(C)OC(=O)N1c2ccc(N3CCCC3)cc2Sc2cc(N3CCOCC3)cc(F)c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.40
▸ USP30 Q70CQ3 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ GPR119 Q8TDV5 1/20 0.38
▸ PIK3CA P42336 2/20 0.37
▸ IDH1 O75874 1/20 0.36
▸ SLC6A9 P48067 1/20 0.36
▸ SLC6A5 Q9Y345 1/20 0.36
▸ P2RY1 P47900 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ ABHD6 Q9BV23 1/20 0.35
▸ LGMN Q99538 1/20 0.35
▸ NR1H2 P55055 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13386210 0.97 BCHE (0.42) BCHEUSP30ALDH1A1MAPTSMN1; SMN2
SCHEMBL13386281 0.93 PIK3CA (0.41) BCHEUSP30ALDH1A1MAPTSMN1; SMN2
SCHEMBL13386122 0.90 BCHE (0.39) BCHEUSP30ALDH1A1SMN1; SMN2GPR119
SCHEMBL13386285 0.89 BCHE (0.39) BCHEUSP30ALDH1A1MAPTSMN1; SMN2
SCHEMBL15909028 0.83 NR1H2 (0.43) BCHEUSP30ALDH1A1MAPTSMN1; SMN2
SCHEMBL13386253 0.80 BACE1 (0.41) BCHEUSP30ALDH1A1MAPTGPR119
SCHEMBL2585068 0.80 SIRT6 (0.41) BCHEALDH1A1MAPTGPR119ABHD6
SCHEMBL21196734 0.79 BCHE (0.41) BCHEALDH1A1MAPTSMN1; SMN2NPSR1
SCHEMBL9933040 0.78 BCHE (0.40) BCHEGPR119ABHD6
SCHEMBL2594780 0.76 PDK2 (0.46) BCHEALDH1A1MAPTSMN1; SMN2NPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2699241-B1 ANTIVIRAL COMPOUNDS PROSETTA ANTIVIRAL INC (US) 2016-07-27 — — EP disclosed
US-8828986-B2 Antiviral compounds PROSETTA ANTIVIRAL INC. (US) 2014-09-09 — — US disclosed
US-20120270854-A1 Antiviral Compounds PROSETTA ANTIVIRAL INC. (US) 2012-10-25 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120270854-A1 Antiviral Compounds HAVCR2, MAVS, EIF2AK2 BCHE 857/4885USP30 1135/4885ALDH1A1 1002/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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